(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol

C11H22O8 — CID 10802818

IUPAC(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol
SMILESC[C@@](O)(CCO)C[C@@]1(O)[C@@H]([C@@H](O)CO)O[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O8/c1-10(17,2-3-12)5-11(18)7(15)9(16)19-8(11)6(14)4-13/h6-9,12-18H,2-5H2,1H3/t6-,7-,8+,9-,10+,11-/m0/s1
InChIKeyURKGPLSZUNKMFW-IMHINIOTSA-N
MW282.29 g/mol
LogP-3.33
Rot. Bonds6

About (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol

(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol (PubChem CID 10802818) has the molecular formula C11H22O8 and a molecular weight of 282.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol
PubChem CID10802818
Molecular FormulaC11H22O8
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol
SMILESC[C@@](O)(CCO)C[C@@]1(O)[C@@H]([C@@H](O)CO)O[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O8/c1-10(17,2-3-12)5-11(18)7(15)9(16)19-8(11)6(14)4-13/h6-9,12-18H,2-5H2,1H3/t6-,7-,8+,9-,10+,11-/m0/s1
InChIKeyURKGPLSZUNKMFW-IMHINIOTSA-N
XLogP-3.33
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.29
LogP ≤ 5-3.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol (CID 10802818) is (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol is C[C@@](O)(CCO)C[C@@]1(O)[C@@H]([C@@H](O)CO)O[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol?
The InChIKey is URKGPLSZUNKMFW-IMHINIOTSA-N. The full InChI is InChI=1S/C11H22O8/c1-10(17,2-3-12)5-11(18)7(15)9(16)19-8(11)6(14)4-13/h6-9,12-18H,2-5H2,1H3/t6-,7-,8+,9-,10+,11-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol?
(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol has a molecular weight of 282.29 g/mol, XLogP of -3.33, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol is sourced from PubChem (CID 10802818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).